1,4-cyclohexanedione bis(ethylene acetal)

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:183-97-1

mdl number:mfcd00010851

einecs number:none

rtecs number:none

brn number:none

pubchem number:24857997

physical property data

1. melting point (ºc):79-80 °c(lit.)

2. boiling point (ºc,normal pressure):75-85 °c0.5 mm hg(lit.)

3. flashpoint (ºc):75-85°c/0.5mm

toxicological data

none yet

ecological data

none yet

molecular structure data

1. moore refraction rate: 49.20

2. molar volume （cm³/mol）：163.6

3. isotonic ratio （90.2k )：415.9

4. surface tension（dyne/cm）: 41.7

5. dielectric constants: none available

6. dipole distance（10 ^-24cm³)：not available

7, polarization rate: 19.50

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 36.9

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 180

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet